[(N,N',N''-trimethyl-1,4,7-triazacyclononane)Mn(O)(H2O)]SO4 | 766530-01-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: [(N,N',N''-trimethyl-1,4,7-triazacyclononane)Mn(O)(H2O)]SO4
• 英文别名: [(tmtacn)Mn(O)(H2O)]SO4
• CAS: 766530-01-2
• 化学式: C₉H₂₁N₃*H₂O*MnO*O₄S
• 分子量: 356.302
• InChiKey: SRVDCWQGUKLXOG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.49
• 重原子数：
  20.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  138.55
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  manganese(II) sulfate 、 水 、 1,4,7-三甲基-1,4,7-三氮杂环壬烷 在 sodium oxalate 、 air 作用下， 以 甲醇 、 水 为溶剂， 以55%的产率得到[(N,N',N''-trimethyl-1,4,7-triazacyclononane)Mn(O)(H2O)]SO4
  参考文献：
  名称：

  Catalytic activities of oxo–Mn–triazacyclononane complexes: spectral studies and single crystal X-ray structure of [Mn4O6(1,4,7-triazacyclononane)4](ClO4)4·H2O

  摘要：

  Monomeric terminal-oxo- and tetrameric bridged-oxo-Mn complexes viz., [(tmtacn)Mn(O)(H2O)]SO4, and [Mn4O6(tacn)(4)](ClO4)(4).H2O, respectively, were isolated and characterized by Fr-IR, UV-vis, EPR and magnetic susceptibility. Here, tmtacn = N,N',N"-trimethyl-1,4,7-triazacyclononane and tacn = 1,4,7-triazacyclononane. Single crystal X-ray structure of the tetrameric bridged-oxo-Mn complex is reported. The catalytic oxidation activities of these complexes for benzylic C-H bond oxidation of ethylbenzene with aqueous H2O2 and tert-butyl hydroperoxide (TBHP) are reported. The studies reveal that nuclearity and type of oxo-Mn speciation influence the catalytic activity. While the monomeric terminal-oxo-Mn complex exhibits efficient C-H bond oxidation activity, the tetrameric bridged-oxo-Mn complex shows the catalase activity. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2004.05.024